General Information of the Compound
| Compound ID |
CP0253466
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
CHEMBL2152237
Show/Hide
|
||||||||||||||||||
| Formula |
C25H31N3O4S
|
||||||||||||||||||
| Molecular Weight |
469.607
|
||||||||||||||||||
| Canonical SMILES |
C[C@@]1(CCCN1S(=O)(=O)c1cccc2cccnc12)C(=O)N[C@H]1C2CC3CC1C[C@](O)(C3)C2
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H31N3O4S/c1-24(23(29)27-21-18-11-16-12-19(21)15-25(30,13-16)14-18)8-4-10-28(24)33(31,32)20-7-2-5-17-6-3-9-26-22(17)20/h2-3,5-7,9,16,18-19,21,30H,4,8,10-15H2,1H3,(H,27,29)/t16?,18?,19?,21-,24-,25-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
FMAKUZMSDBENNW-OPDSBUNKSA-N
|
||||||||||||||||||
| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
|
||||||||||||||||||
| Click to Show/Hide the External Link(s) of This Compound | |||||||||||||||||||
| ChEMBL ID | |||||||||||||||||||